Home Sulfos 3-ethyl-1H-pyrazole-4-sulfonyl fluoride

3-ethyl-1H-pyrazole-4-sulfonyl fluoride

CAS No.:
2138511-65-4
Catalog Number:
AG01EJ0C
Molecular Formula:
C5H7FN2O2S
Molecular Weight:
178.1847
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Product Description
Catalog Number:
AG01EJ0C
Chemical Name:
3-ethyl-1H-pyrazole-4-sulfonyl fluoride
CAS Number:
2138511-65-4
Molecular Formula:
C5H7FN2O2S
Molecular Weight:
178.1847
MDL Number:
MFCD31599148
IUPAC Name:
5-ethyl-1H-pyrazole-4-sulfonyl fluoride
InChI:
InChI=1S/C5H7FN2O2S/c1-2-4-5(3-7-8-4)11(6,9)10/h3H,2H2,1H3,(H,7,8)
InChI Key:
HABJBYUYXFLMAY-UHFFFAOYSA-N
SMILES:
CCc1n[nH]cc1S(=O)(=O)F
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.021g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.181g/mol
Monoisotopic Mass:
178.021g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties